4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)butyronitrile Formula: C20H17N5OS3 MolecularWeight: 439.57688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N)C4=CC=CS4

InChI

InChI=1S/C20H17N5OS3/c1-3-25-18(17-9-6-10-27-17)22-23-20(25)28-12-15(26)13(11-21)19-24(2)14-7-4-5-8-16(14)29-19/h4-10H,3,12H2,1-2H3