3-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione Formula: C12H12N6S MolecularWeight: 272.32888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC1=NNC(=S)N1C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C12H12N6S/c1-9-15-16-12(19)18(9)11-4-2-10(3-5-11)6-17-8-13-7-14-17/h2-5,7-8H,6H2,1H3,(H,16,19)