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

Systemtic Name: 3-methyl-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: N-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide IUPAC Name: 3-methyl-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: N-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-3-methyl-benzamide Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NNC(=S)N2CC=C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NNC(=S)N2CC=C

InChI

InChI=1S/C14H16N4OS/c1-3-7-18-12(16-17-14(18)20)9-15-13(19)11-6-4-5-10(2)8-11/h3-6,8H,1,7,9H2,2H3,(H,15,19)(H,17,20)