4-(4-methylphenyl)-2-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 4-(p-tolyl)-6-(2-thienyl)-2-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]pyridine-3-carbonitrile CAS Name: 4-(4-methylphenyl)-2-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-2-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 4-(p-tolyl)-6-(2-thienyl)-2-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]nicotinonitrile Formula: C20H15N5OS2 MolecularWeight: 405.496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)OCC3=NC(=S)NN3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)OCC3=NC(=S)NN3)C4=CC=CS4

InChI

InChI=1S/C20H15N5OS2/c1-12-4-6-13(7-5-12)14-9-16(17-3-2-8-28-17)22-19(15(14)10-21)26-11-18-23-20(27)25-24-18/h2-9H,11H2,1H3,(H2,23,24,25,27)