(2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethoxyphenyl)propan-1-one

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethoxyphenyl)propan-1-one Openeye Name: (2S)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)propan-1-one CAS Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(4-ethoxyphenyl)-1-propanone IUPAC Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethoxyphenyl)propan-1-one Traditional Name: (2S)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-p-phenetyl-propan-1-one Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C20H21N3O2S2/c1-3-25-16-10-6-14(7-11-16)18(24)13(2)27-20-22-21-19(17-5-4-12-26-17)23(20)15-8-9-15/h4-7,10-13,15H,3,8-9H2,1-2H3/t13-/m0/s1