2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4-allyl-5-(3-methyl-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[5-(3-methyl-2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: 4-[[4-allyl-5-(3-methyl-2-furyl)-1,2,4-triazol-3-yl]thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)C2=NN=C(N2CC=C)SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CC1=C(OC=C1)C2=NN=C(N2CC=C)SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C21H18N6O2S/c1-3-9-27-20(18-13(2)8-10-29-18)25-26-21(27)30-12-17(28)14(11-22)19-23-15-6-4-5-7-16(15)24-19/h3-8,10,23-24H,1,9,12H2,2H3