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

Systemtic Name: 1-(1-methyl-3-pyrazin-2-yl-5-sulfanylidene-1,2,4-triazol-4-yl)-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-(1-methyl-3-pyrazin-2-yl-5-thioxo-1,2,4-triazol-4-yl)thiourea CAS Name: 1-[1-methyl-3-(2-pyrazinyl)-5-sulfanylidene-1,2,4-triazol-4-yl]-3-prop-2-enylthiourea IUPAC Name: 1-(1-methyl-3-pyrazin-2-yl-5-sulfanylidene-1,2,4-triazol-4-yl)-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-(1-methyl-3-pyrazin-2-yl-5-thioxo-1,2,4-triazol-4-yl)thiourea Formula: C11H13N7S2 MolecularWeight: 307.39782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(C(=N1)C2=NC=CN=C2)NC(=S)NCC=C

Isomeric SMILES

CN1C(=S)N(C(=N1)C2=NC=CN=C2)NC(=S)NCC=C

InChI

InChI=1S/C11H13N7S2/c1-3-4-14-10(19)16-18-9(15-17(2)11(18)20)8-7-12-5-6-13-8/h3,5-7H,1,4H2,2H3,(H2,14,16,19)