N-cycloheptyl-2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-cycloheptyl-2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-cycloheptyl-2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-cycloheptyl-2-[[5-phenyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cycloheptyl-2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-cycloheptyl-2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5OS/c27-19(22-18-12-6-1-2-7-13-18)16-28-21-24-23-20(17-10-4-3-5-11-17)26(21)25-14-8-9-15-25/h3-5,8-11,14-15,18H,1-2,6-7,12-13,16H2,(H,22,27)