(2R)-1-(azepan-1-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2R)-1-(azepan-1-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H26N4OS/c1-15(19(25)23-13-7-2-3-8-14-23)26-20-21-18(16-11-12-16)24(22-20)17-9-5-4-6-10-17/h4-6,9-10,15-16H,2-3,7-8,11-14H2,1H3/t15-/m1/s1