1-(1-methyl-3-pyridin-2-yl-5-sulfanylidene-1,2,4-triazol-4-yl)-3-prop-2-enyl-thiourea

Systemtic Name: 1-(1-methyl-3-pyridin-2-yl-5-sulfanylidene-1,2,4-triazol-4-yl)-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[1-methyl-3-(2-pyridyl)-5-thioxo-1,2,4-triazol-4-yl]thiourea CAS Name: 1-[1-methyl-3-(2-pyridinyl)-5-sulfanylidene-1,2,4-triazol-4-yl]-3-prop-2-enylthiourea IUPAC Name: 1-(1-methyl-3-pyridin-2-yl-5-sulfanylidene-1,2,4-triazol-4-yl)-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[1-methyl-3-(2-pyridyl)-5-thioxo-1,2,4-triazol-4-yl]thiourea Formula: C12H14N6S2 MolecularWeight: 306.40976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(C(=N1)C2=CC=CC=N2)NC(=S)NCC=C

Isomeric SMILES

CN1C(=S)N(C(=N1)C2=CC=CC=N2)NC(=S)NCC=C

InChI

InChI=1S/C12H14N6S2/c1-3-7-14-11(19)16-18-10(15-17(2)12(18)20)9-6-4-5-8-13-9/h3-6,8H,1,7H2,2H3,(H2,14,16,19)