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

Systemtic Name: 2-[1-[(3-methylphenyl)amino]-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl]ethanenitrile Openeye Name: 2-[1-(3-methylanilino)-3-thioxo-2,4-diazaspiro[4.5]dec-1-en-4-yl]acetonitrile CAS Name: 2-[1-(3-methylanilino)-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl]acetonitrile IUPAC Name: 2-[1-(3-methylanilino)-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl]acetonitrile Traditional Name: 2-[1-(m-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(=CC=C1)NC2=NC(=S)N(C23CCCCC3)CC#N

Isomeric SMILES

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

InChI

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