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

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(2,4,5-trimethylphenyl)-1-propanone IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(2,4,5-trimethylphenyl)propan-1-one Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=CS4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=CS4)C)C

InChI

InChI=1S/C21H23N3OS2/c1-12-10-14(3)17(11-13(12)2)19(25)15(4)27-21-23-22-20(18-6-5-9-26-18)24(21)16-7-8-16/h5-6,9-11,15-16H,7-8H2,1-4H3