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

Systemtic Name: (3R)-3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: (3R)-3-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3R)-3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: (3R)-3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: (3R)-3-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C18H18N4OS2 MolecularWeight: 370.49172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C18H18N4OS2/c23-17-15(9-4-5-11-19-17)25-18-21-20-16(14-10-6-12-24-14)22(18)13-7-2-1-3-8-13/h1-3,6-8,10,12,15H,4-5,9,11H2,(H,19,23)/t15-/m1/s1