3-[[4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]propanenitrile

Systemtic Name: 3-[[4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]propanenitrile Openeye Name: 3-[[4-(3,4-dimethylphenyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]propanenitrile CAS Name: 3-[[4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]propanenitrile IUPAC Name: 3-[[4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]propanenitrile Traditional Name: 3-[[4-(3,4-dimethylphenyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]propionitrile Formula: C21H23N5S MolecularWeight: 377.50582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN(C2=S)CN(C)CCC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN(C2=S)CN(C)CCC#N)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23N5S/c1-16-10-11-19(14-17(16)2)26-20(18-8-5-4-6-9-18)23-25(21(26)27)15-24(3)13-7-12-22/h4-6,8-11,14H,7,13,15H2,1-3H3