3-butylsulfanyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 3-butylsulfanyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-butylsulfanyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(butylthio)-5-phenethyl-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-butylsulfanyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(butylthio)-5-phenethyl-[1,2,4]triazin[5,6-b]indole Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=CC=CC=C3N2CCC4=CC=CC=C4)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=CC=CC=C3N2CCC4=CC=CC=C4)N=N1

InChI

InChI=1S/C21H22N4S/c1-2-3-15-26-21-22-20-19(23-24-21)17-11-7-8-12-18(17)25(20)14-13-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3