4-(5-phenyl-1,2,3,4-tetrazol-2-yl)butanethioamide

Systemtic Name: 4-(5-phenyl-1,2,3,4-tetrazol-2-yl)butanethioamide Openeye Name: 4-(5-phenyltetrazol-2-yl)butanethioamide CAS Name: 4-(5-phenyl-2-tetrazolyl)butanethioamide IUPAC Name: 4-(5-phenyltetrazol-2-yl)butanethioamide Traditional Name: 4-(5-phenyltetrazol-2-yl)thiobutyramide Formula: C11H13N5S MolecularWeight: 247.31942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(N=N2)CCCC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(N=N2)CCCC(=S)N

InChI

InChI=1S/C11H13N5S/c12-10(17)7-4-8-16-14-11(13-15-16)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,12,17)