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

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)ethanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-dimethylaminophenyl)acetamide CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)acetamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-dimethylaminophenyl)acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H25N5OS/c1-26(2)19-12-10-18(11-13-19)23-20(28)15-29-22-25-24-21(17-8-9-17)27(22)14-16-6-4-3-5-7-16/h3-7,10-13,17H,8-9,14-15H2,1-2H3,(H,23,28)