2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propylphenyl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propylphenyl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(4-propylphenyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propylphenyl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-propylphenyl)ethanone Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H22N4OS/c1-2-3-15-4-6-16(7-5-15)19(26)14-27-21-24-23-20(25(21)18-8-9-18)17-10-12-22-13-11-17/h4-7,10-13,18H,2-3,8-9,14H2,1H3