2-azanyl-4-(4-methylphenyl)-5-oxidanylidene-1-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-methylphenyl)-5-oxidanylidene-1-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 1-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-amino-5-oxo-4-(p-tolyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-methylphenyl)-5-oxo-1-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-methylphenyl)-5-oxo-1-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 1-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-amino-5-keto-4-(p-tolyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H21N5OS2 MolecularWeight: 435.56504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC=C)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC=C)N)C#N

InChI

InChI=1S/C22H21N5OS2/c1-3-11-29-22-26-25-21(30-22)27-16-5-4-6-17(28)19(16)18(15(12-23)20(27)24)14-9-7-13(2)8-10-14/h3,7-10,18H,1,4-6,11,24H2,2H3