2-[1-[(4-methylphenyl)amino]-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl]ethanenitrile

Systemtic Name: 2-[1-[(4-methylphenyl)amino]-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl]ethanenitrile Openeye Name: 2-[1-(4-methylanilino)-3-thioxo-2,4-diazaspiro[4.5]dec-1-en-4-yl]acetonitrile CAS Name: 2-[1-(4-methylanilino)-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl]acetonitrile IUPAC Name: 2-[1-(4-methylanilino)-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl]acetonitrile Traditional Name: 2-[1-(p-toluidino)-3-thioxo-2,4-diazaspiro[4.5]dec-1-en-4-yl]acetonitrile Formula: C17H20N4S MolecularWeight: 312.4325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=S)N(C23CCCCC3)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=S)N(C23CCCCC3)CC#N

InChI

InChI=1S/C17H20N4S/c1-13-5-7-14(8-6-13)19-15-17(9-3-2-4-10-17)21(12-11-18)16(22)20-15/h5-8H,2-4,9-10,12H2,1H3,(H,19,20,22)