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

Systemtic Name: N-methyl-4-[[methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzamide Openeye Name: 4-[[[4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: N-methyl-4-[[methyl-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]methyl]benzamide IUPAC Name: N-methyl-4-[[methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzamide Traditional Name: 4-[[[4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

InChI

InChI=1S/C21H24N6OS/c1-4-12-26-19(18-6-5-11-23-13-18)24-27(21(26)29)15-25(3)14-16-7-9-17(10-8-16)20(28)22-2/h4-11,13H,1,12,14-15H2,2-3H3,(H,22,28)