N-cyclopropyl-2-[methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]ethanamide

Systemtic Name: N-cyclopropyl-2-[methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]ethanamide Openeye Name: 2-[[4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[methyl-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]acetamide IUPAC Name: N-cyclopropyl-2-[methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]acetamide Traditional Name: 2-[[4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-acetamide Formula: C17H22N6OS MolecularWeight: 358.46118

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

Isomeric SMILES

CN(CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

InChI

InChI=1S/C17H22N6OS/c1-3-9-22-16(13-5-4-8-18-10-13)20-23(17(22)25)12-21(2)11-15(24)19-14-6-7-14/h3-5,8,10,14H,1,6-7,9,11-12H2,2H3,(H,19,24)