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

Systemtic Name: 3-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-amino]propanenitrile Openeye Name: 3-[(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]propanenitrile CAS Name: 3-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]propanenitrile IUPAC Name: 3-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]propanenitrile Traditional Name: 3-[(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]propionitrile Formula: C19H19N5S MolecularWeight: 349.45266

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CN1C(=S)N(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CN(CCC#N)CN1C(=S)N(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H19N5S/c1-22(14-8-13-20)15-23-19(25)24(17-11-6-3-7-12-17)18(21-23)16-9-4-2-5-10-16/h2-7,9-12H,8,14-15H2,1H3