4-azanylidene-3-[2-(2,3-dihydro-1H-1,2,3,4-tetrazol-5-yl)phenyl]sulfanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-azanylidene-3-[2-(2,3-dihydro-1H-1,2,3,4-tetrazol-5-yl)phenyl]sulfanyl-cyclohexa-2,5-dien-1-one Openeye Name: 3-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]sulfanyl-4-imino-cyclohexa-2,5-dien-1-one CAS Name: 3-[[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]thio]-4-imino-1-cyclohexa-2,5-dienone IUPAC Name: 3-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]sulfanyl-4-iminocyclohexa-2,5-dien-1-one Traditional Name: 3-[[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]thio]-4-imino-cyclohexa-2,5-dien-1-one Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NNNN2)SC3=CC(=O)C=CC3=N

Isomeric SMILES

C1=CC=C(C(=C1)C2=NNNN2)SC3=CC(=O)C=CC3=N

InChI

InChI=1S/C13H11N5OS/c14-10-6-5-8(19)7-12(10)20-11-4-2-1-3-9(11)13-15-17-18-16-13/h1-7,14,17-18H,(H,15,16)