4,5-bis[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzene-1,2-dicarbonitrile

Systemtic Name: 4,5-bis[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzene-1,2-dicarbonitrile Openeye Name: 4,5-bis[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]phthalonitrile CAS Name: 4,5-bis[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]benzene-1,2-dicarbonitrile IUPAC Name: 4,5-bis[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzene-1,2-dicarbonitrile Traditional Name: 4,5-bis[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]phthalonitrile Formula: C26H18N8S4 MolecularWeight: 570.73472

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=C(C=C(C(=C2)C#N)C#N)SC3=NN=C(N3CC=C)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

C=CCN1C(=NN=C1SC2=C(C=C(C(=C2)C#N)C#N)SC3=NN=C(N3CC=C)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C26H18N8S4/c1-3-9-33-23(19-7-5-11-35-19)29-31-25(33)37-21-13-17(15-27)18(16-28)14-22(21)38-26-32-30-24(34(26)10-4-2)20-8-6-12-36-20/h3-8,11-14H,1-2,9-10H2