5-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[[1-(2-furylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[[1-(2-furanylmethyl)-5-tetrazolyl]thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[[1-(2-furfuryl)tetrazol-5-yl]thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C18H15N7OS MolecularWeight: 377.423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN=NN2CC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=NN2CC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C18H15N7OS/c1-13-16(10-19)17(25(21-13)14-6-3-2-4-7-14)12-27-18-20-22-23-24(18)11-15-8-5-9-26-15/h2-9H,11-12H2,1H3