N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H32N6OS MolecularWeight: 440.60478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4CC4)N5CCCC5

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4CC4)N5CCCC5

InChI

InChI=1S/C23H32N6OS/c30-21(24-18-7-9-19(10-8-18)27-13-3-1-2-4-14-27)17-31-23-26-25-22(28-15-5-6-16-28)29(23)20-11-12-20/h7-10,20H,1-6,11-17H2,(H,24,30)