N-phenyl-N-propan-2-yl-2-(4-prop-2-enyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-phenyl-N-propan-2-yl-2-(4-prop-2-enyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanamide Openeye Name: 2-[4-allyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]-N-isopropyl-N-phenyl-acetamide CAS Name: N-phenyl-N-propan-2-yl-2-(4-prop-2-enyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-phenyl-N-propan-2-yl-2-(4-prop-2-enyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)acetamide Traditional Name: 2-[4-allyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]-N-isopropyl-N-phenyl-acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC=C

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC=C

InChI

InChI=1S/C21H23N5OS/c1-4-14-24-20(17-10-12-22-13-11-17)23-25(21(24)28)15-19(27)26(16(2)3)18-8-6-5-7-9-18/h4-13,16H,1,14-15H2,2-3H3