[3-(2-aminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-pyrazin-2-yl-methanone

Systemtic Name: [3-(2-aminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-pyrazin-2-yl-methanone Openeye Name: [3-(2-aminophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-pyrazin-2-yl-methanone CAS Name: [3-(2-aminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-(2-pyrazinyl)methanone IUPAC Name: [3-(2-aminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-pyrazin-2-ylmethanone Traditional Name: [3-(2-aminophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-pyrazin-2-yl-methanone Formula: C13H10N6OS MolecularWeight: 298.3231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NNC(=S)N2C(=O)C3=NC=CN=C3)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=NNC(=S)N2C(=O)C3=NC=CN=C3)N

InChI

InChI=1S/C13H10N6OS/c14-9-4-2-1-3-8(9)11-17-18-13(21)19(11)12(20)10-7-15-5-6-16-10/h1-7H,14H2,(H,18,21)