N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H26N6O2S/c28-18(24-20(29)23-13-8-15-4-2-1-3-5-15)14-30-21-26-25-19(27(21)17-6-7-17)16-9-11-22-12-10-16/h4,9-12,17H,1-3,5-8,13-14H2,(H2,23,24,28,29)