2-[6-[(3-methylphenyl)amino]-8-sulfanylidene-7,9-diazaspiro[4.4]non-6-en-9-yl]ethanenitrile

Systemtic Name: 2-[6-[(3-methylphenyl)amino]-8-sulfanylidene-7,9-diazaspiro[4.4]non-6-en-9-yl]ethanenitrile Openeye Name: 2-[6-(3-methylanilino)-8-thioxo-7,9-diazaspiro[4.4]non-6-en-9-yl]acetonitrile CAS Name: 2-[6-(3-methylanilino)-8-sulfanylidene-7,9-diazaspiro[4.4]non-6-en-9-yl]acetonitrile IUPAC Name: 2-[6-(3-methylanilino)-8-sulfanylidene-7,9-diazaspiro[4.4]non-6-en-9-yl]acetonitrile Traditional Name: 2-[6-(m-toluidino)-8-thioxo-7,9-diazaspiro[4.4]non-6-en-9-yl]acetonitrile Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=S)N(C23CCCC3)CC#N

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=S)N(C23CCCC3)CC#N

InChI

InChI=1S/C16H18N4S/c1-12-5-4-6-13(11-12)18-14-16(7-2-3-8-16)20(10-9-17)15(21)19-14/h4-6,11H,2-3,7-8,10H2,1H3,(H,18,19,21)