4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-pyrrol-1-yl-butan-1-one

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-pyrrol-1-yl-butan-1-one Openeye Name: 4-(1-methyltetrazol-5-yl)sulfanyl-1-pyrrol-1-yl-butan-1-one CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-1-(1-pyrrolyl)-1-butanone IUPAC Name: 4-(1-methyltetrazol-5-yl)sulfanyl-1-pyrrol-1-ylbutan-1-one Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-1-pyrrol-1-yl-butan-1-one Formula: C10H13N5OS MolecularWeight: 251.30812

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)N2C=CC=C2

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)N2C=CC=C2

InChI

InChI=1S/C10H13N5OS/c1-14-10(11-12-13-14)17-8-4-5-9(16)15-6-2-3-7-15/h2-3,6-7H,4-5,8H2,1H3