3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]benzenecarbothioamide

Systemtic Name: 3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]benzenecarbothioamide Openeye Name: 3-[(5-phenyltetrazol-2-yl)methyl]benzenecarbothioamide CAS Name: 3-[(5-phenyl-2-tetrazolyl)methyl]benzenecarbothioamide IUPAC Name: 3-[(5-phenyltetrazol-2-yl)methyl]benzenecarbothioamide Traditional Name: 3-[(5-phenyltetrazol-2-yl)methyl]thiobenzamide Formula: C15H13N5S MolecularWeight: 295.36222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=CC(=C3)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=CC(=C3)C(=S)N

InChI

InChI=1S/C15H13N5S/c16-14(21)13-8-4-5-11(9-13)10-20-18-15(17-19-20)12-6-2-1-3-7-12/h1-9H,10H2,(H2,16,21)