2'-azanyl-3-methylsulfanyl-spiro[1,5-dihydro-[1,2,4]triazolo[4,3-d][1,3,4]benzotriazepine-6,4'-6,7-dihydro-5H-cyclopenta[b]pyran]-3'-carbonitrile

Systemtic Name: 2'-azanyl-3-methylsulfanyl-spiro[1,5-dihydro-[1,2,4]triazolo[4,3-d][1,3,4]benzotriazepine-6,4'-6,7-dihydro-5H-cyclopenta[b]pyran]-3'-carbonitrile Openeye Name: 2'-amino-3-methylsulfanyl-spiro[1,5-dihydro-[1,2,4]triazolo[4,3-d][1,3,4]benzotriazepine-6,4'-6,7-dihydro-5H-cyclopenta[b]pyran]-3'-carbonitrile CAS Name: 2'-amino-3-(methylthio)-3'-spiro[1,5-dihydro-[1,2,4]triazolo[4,3-d][1,3,4]benzotriazepine-6,4'-6,7-dihydro-5H-cyclopenta[b]pyran]carbonitrile IUPAC Name: 2'-amino-3-methylsulfanylspiro[1,5-dihydro-[1,2,4]triazolo[4,3-d][1,3,4]benzotriazepine-6,4'-6,7-dihydro-5H-cyclopenta[b]pyran]-3'-carbonitrile Traditional Name: 2'-amino-3-(methylthio)spiro[1,5-dihydro-[1,2,4]triazolo[4,3-d][1,3,4]benzotriazepine-6,4'-6,7-dihydro-5H-cyclopenta[b]pyran]-3'-carbonitrile Formula: C18H17N7OS MolecularWeight: 379.43888

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC2=C3C=CC=CC3=NC4(C5=C(CCC5)OC(=C4C#N)N)NN21

Isomeric SMILES

CSC1=NNC2=C3C=CC=CC3=NC4(C5=C(CCC5)OC(=C4C#N)N)NN21

InChI

InChI=1S/C18H17N7OS/c1-27-17-23-22-16-10-5-2-3-7-13(10)21-18(24-25(16)17)11-6-4-8-14(11)26-15(20)12(18)9-19/h2-3,5,7,22,24H,4,6,8,20H2,1H3