2-azanyl-1-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(4-ethylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(4-ethylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(4-ethylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-[5-(cyclohexylthio)-1,3,4-thiadiazol-2-yl]-4-(4-ethylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(4-ethylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-[5-(cyclohexylthio)-1,3,4-thiadiazol-2-yl]-4-(4-ethylphenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H29N5OS2 MolecularWeight: 491.67136

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SC5CCCCC5)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SC5CCCCC5)N)C#N

InChI

InChI=1S/C26H29N5OS2/c1-2-16-11-13-17(14-12-16)22-19(15-27)24(28)31(20-9-6-10-21(32)23(20)22)25-29-30-26(34-25)33-18-7-4-3-5-8-18/h11-14,18,22H,2-10,28H2,1H3