2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetonitrile CAS Name: 2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetonitrile IUPAC Name: 2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]acetonitrile Formula: C15H12N4OS MolecularWeight: 296.34698

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC#N

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC#N

InChI

InChI=1S/C15H12N4OS/c1-2-8-19-14(20)13-12(18-15(19)21-9-7-16)10-5-3-4-6-11(10)17-13/h2-6,17H,1,8-9H2