4-(1,2,4-triazol-1-ylmethyl)benzenecarbothioamide

Systemtic Name: 4-(1,2,4-triazol-1-ylmethyl)benzenecarbothioamide Openeye Name: 4-(1,2,4-triazol-1-ylmethyl)benzenecarbothioamide CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzenecarbothioamide IUPAC Name: 4-(1,2,4-triazol-1-ylmethyl)benzenecarbothioamide Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)thiobenzamide Formula: C10H10N4S MolecularWeight: 218.2782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=N2)C(=S)N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=N2)C(=S)N

InChI

InChI=1S/C10H10N4S/c11-10(15)9-3-1-8(2-4-9)5-14-7-12-6-13-14/h1-4,6-7H,5H2,(H2,11,15)