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

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)propanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-dimethylaminophenyl)propanamide CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)propanamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-dimethylaminophenyl)propanamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-dimethylaminophenyl)propionamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5OS/c1-16(22(29)24-19-11-13-20(14-12-19)27(2)3)30-23-26-25-21(18-9-10-18)28(23)15-17-7-5-4-6-8-17/h4-8,11-14,16,18H,9-10,15H2,1-3H3,(H,24,29)