(5R,6S)-3-phenyl-5-thiophen-2-yl-6-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one

Systemtic Name: (5R,6S)-3-phenyl-5-thiophen-2-yl-6-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Openeye Name: (5R,6S)-3-phenyl-5-(2-thienyl)-6-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one CAS Name: (5R,6S)-3-phenyl-5-thiophen-2-yl-6-(1,2,4-triazol-1-yl)-1-cyclohex-2-enone IUPAC Name: (5R,6S)-3-phenyl-5-thiophen-2-yl-6-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Traditional Name: (5R,6S)-3-phenyl-5-(2-thienyl)-6-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)C=C1C2=CC=CC=C2)N3C=NC=N3)C4=CC=CS4

Isomeric SMILES

C1[C@H]([C@@H](C(=O)C=C1C2=CC=CC=C2)N3C=NC=N3)C4=CC=CS4

InChI

InChI=1S/C18H15N3OS/c22-16-10-14(13-5-2-1-3-6-13)9-15(17-7-4-8-23-17)18(16)21-12-19-11-20-21/h1-8,10-12,15,18H,9H2/t15-,18-/m0/s1