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

Systemtic Name: 3,4-dimethoxy-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]-3,4-dimethoxy-benzamide CAS Name: 3,4-dimethoxy-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide IUPAC Name: 3,4-dimethoxy-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]-3,4-dimethoxy-benzamide Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=NNC(=S)N2CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=NNC(=S)N2CC=C)OC

InChI

InChI=1S/C15H18N4O3S/c1-4-7-19-13(17-18-15(19)23)9-16-14(20)10-5-6-11(21-2)12(8-10)22-3/h4-6,8H,1,7,9H2,2-3H3,(H,16,20)(H,18,23)