3-methyl-1-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-1-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazole-4-carbonitrile Openeye Name: 3-methyl-1-phenyl-5-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyrazole-4-carbonitrile CAS Name: 3-methyl-1-phenyl-5-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-1-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazole-4-carbonitrile Traditional Name: 3-methyl-1-phenyl-5-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]pyrazole-4-carbonitrile Formula: C18H14N6S2 MolecularWeight: 378.47396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NNC(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NNC(=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C18H14N6S2/c1-12-14(10-19)15(24(23-12)13-6-3-2-4-7-13)11-26-18-20-17(21-22-18)16-8-5-9-25-16/h2-9H,11H2,1H3,(H,20,21,22)