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

Systemtic Name: 3-methyl-1-phenyl-5-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrazole-4-carbonitrile Openeye Name: 3-methyl-1-phenyl-5-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrazole-4-carbonitrile CAS Name: 3-methyl-1-phenyl-5-[[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-1-phenyl-5-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrazole-4-carbonitrile Traditional Name: 3-methyl-1-phenyl-5-[[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]pyrazole-4-carbonitrile Formula: C20H18N6S3 MolecularWeight: 438.59212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN=C(S2)NCCC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=C(S2)NCCC3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N6S3/c1-14-17(12-21)18(26(25-14)15-6-3-2-4-7-15)13-28-20-24-23-19(29-20)22-10-9-16-8-5-11-27-16/h2-8,11H,9-10,13H2,1H3,(H,22,23)