2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)butanamide

Systemtic Name: 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-benzyl-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NN=CN2C3=CC=CC=C3OC

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NN=CN2C3=CC=CC=C3OC

InChI

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