2-[4-(prop-2-enylamino)phenyl]sulfanylbenzene-1,4-dicarbonitrile

Systemtic Name: 2-[4-(prop-2-enylamino)phenyl]sulfanylbenzene-1,4-dicarbonitrile Openeye Name: 2-[4-(allylamino)phenyl]sulfanylterephthalonitrile CAS Name: 2-[[4-(prop-2-enylamino)phenyl]thio]benzene-1,4-dicarbonitrile IUPAC Name: 2-[4-(prop-2-enylamino)phenyl]sulfanylbenzene-1,4-dicarbonitrile Traditional Name: 2-[[4-(allylamino)phenyl]thio]terephthalonitrile Formula: C17H13N3S MolecularWeight: 291.37022

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=CC=C(C=C1)SC2=C(C=CC(=C2)C#N)C#N

Isomeric SMILES

C=CCNC1=CC=C(C=C1)SC2=C(C=CC(=C2)C#N)C#N

InChI

InChI=1S/C17H13N3S/c1-2-9-20-15-5-7-16(8-6-15)21-17-10-13(11-18)3-4-14(17)12-19/h2-8,10,20H,1,9H2