3-chloranyl-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2-propyltetrazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C14H13ClN6OS2 MolecularWeight: 380.87562

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1N=C(N=N1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCN1N=C(N=N1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C14H13ClN6OS2/c1-2-7-21-19-13(18-20-21)17-14(23)16-12(22)11-10(15)8-5-3-4-6-9(8)24-11/h3-6H,2,7H2,1H3,(H2,16,17,19,22,23)