3-[[methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzonitrile CAS Name: 3-[[methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzonitrile IUPAC Name: 3-[[methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzonitrile Traditional Name: 3-[[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzonitrile Formula: C15H17N5S MolecularWeight: 299.39398

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC(=C1)C#N)CN2C(=S)N(C=N2)CC=C

Isomeric SMILES

CN(CC1=CC=CC(=C1)C#N)CN2C(=S)N(C=N2)CC=C

InChI

InChI=1S/C15H17N5S/c1-3-7-19-11-17-20(15(19)21)12-18(2)10-14-6-4-5-13(8-14)9-16/h3-6,8,11H,1,7,10,12H2,2H3