N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-3-propoxy-benzamide

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-3-propoxy-benzamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxy-benzamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-3-propoxybenzamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-3-propoxy-benzamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C

InChI

InChI=1S/C20H22N4O2S/c1-3-12-26-18-11-7-10-17(13-18)19(25)23-24-15(2)21-22-20(24)27-14-16-8-5-4-6-9-16/h4-11,13H,3,12,14H2,1-2H3,(H,23,25)