2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide CAS Name: N-[anilino(oxo)methyl]-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(phenylcarbamoyl)propionamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H23N5O2S/c1-15(20(28)24-21(29)23-18-10-6-3-7-11-18)30-22-26-25-19(17-12-13-17)27(22)14-16-8-4-2-5-9-16/h2-11,15,17H,12-14H2,1H3,(H2,23,24,28,29)