2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)-phenyl-methyl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)-phenyl-methyl]ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)-phenyl-methyl]acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(4-chlorophenyl)-phenylmethyl]acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)-phenylmethyl]acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(4-chlorophenyl)-phenyl-methyl]acetamide Formula: C20H20ClN5OS MolecularWeight: 413.9237

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)NC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)NC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN5OS/c21-16-10-8-14(9-11-16)18(13-4-2-1-3-5-13)23-17(27)12-28-20-25-24-19(26(20)22)15-6-7-15/h1-5,8-11,15,18H,6-7,12,22H2,(H,23,27)