3-methyl-5-[(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-5-[(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[[5-oxo-4-(2-thienyl)tetrazol-1-yl]methyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[(5-oxo-4-thiophen-2-yl-1-tetrazolyl)methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[5-keto-4-(2-thienyl)tetrazol-1-yl]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C17H13N7OS MolecularWeight: 363.39642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CN2C(=O)N(N=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CN2C(=O)N(N=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C17H13N7OS/c1-12-14(10-18)15(23(19-12)13-6-3-2-4-7-13)11-22-17(25)24(21-20-22)16-8-5-9-26-16/h2-9H,11H2,1H3