N-(3,4-dimethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(3,4-dimethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(3,4-dimethoxyphenyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(3,4-dimethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(3,4-dimethoxyphenyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NN3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NN3)OC

InChI

InChI=1S/C18H18N4O3S/c1-24-15-7-6-14(9-16(15)25-2)21-17(23)13-5-3-4-12(8-13)10-26-18-19-11-20-22-18/h3-9,11H,10H2,1-2H3,(H,21,23)(H,19,20,22)