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

Systemtic Name: 5-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[[4-(2-furylmethyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[[4-(2-furanylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[[4-(2-furfuryl)-5-isopropyl-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN=C(N2CC3=CC=CO3)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=C(N2CC3=CC=CO3)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6OS/c1-15(2)21-24-25-22(27(21)13-18-10-7-11-29-18)30-14-20-19(12-23)16(3)26-28(20)17-8-5-4-6-9-17/h4-11,15H,13-14H2,1-3H3