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

Systemtic Name: 2-azanyl-1-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-methoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-[5-(cyclohexylthio)-1,3,4-thiadiazol-2-yl]-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-[5-(cyclohexylthio)-1,3,4-thiadiazol-2-yl]-5-keto-4-(3-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H27N5O2S2 MolecularWeight: 493.64418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SC5CCCCC5)N)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SC5CCCCC5)N)C#N

InChI

InChI=1S/C25H27N5O2S2/c1-32-16-8-5-7-15(13-16)21-18(14-26)23(27)30(19-11-6-12-20(31)22(19)21)24-28-29-25(34-24)33-17-9-3-2-4-10-17/h5,7-8,13,17,21H,2-4,6,9-12,27H2,1H3