benzohydrazide; 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2,3-dihydroinden-1-one

Systemtic Name: benzohydrazide; 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2,3-dihydroinden-1-one Openeye Name: benzohydrazide; 2-(1-phenyltetrazol-5-yl)sulfanylindan-1-one CAS Name: benzohydrazide; 2-[(1-phenyl-5-tetrazolyl)thio]-2,3-dihydroinden-1-one IUPAC Name: benzohydrazide; 2-(1-phenyltetrazol-5-yl)sulfanyl-2,3-dihydroinden-1-one Traditional Name: benzohydrazide; 2-[(1-phenyltetrazol-5-yl)thio]indan-1-one Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=CC=CC=C21)SC3=NN=NN3C4=CC=CC=C4.C1=CC=C(C=C1)C(=O)NN

Isomeric SMILES

C1C(C(=O)C2=CC=CC=C21)SC3=NN=NN3C4=CC=CC=C4.C1=CC=C(C=C1)C(=O)NN

InChI

InChI=1S/C16H12N4OS.C7H8N2O/c21-15-13-9-5-4-6-11(13)10-14(15)22-16-17-18-19-20(16)12-7-2-1-3-8-12;8-9-7(10)6-4-2-1-3-5-6/h1-9,14H,10H2;1-5H,8H2,(H,9,10)