2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenecarbothioamide

Systemtic Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenecarbothioamide Openeye Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenecarbothioamide CAS Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenecarbothioamide IUPAC Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenecarbothioamide Traditional Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiobenzamide Formula: C16H14N4S MolecularWeight: 294.37416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C=NC=N3)C(=S)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C=NC=N3)C(=S)N

InChI

InChI=1S/C16H14N4S/c17-16(21)15-4-2-1-3-14(15)13-7-5-12(6-8-13)9-20-11-18-10-19-20/h1-8,10-11H,9H2,(H2,17,21)