4-(4-methylphenyl)-1-pentyl-2-(pentylamino)-6-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-1-pentyl-2-(pentylamino)-6-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 1-pentyl-2-(pentylamino)-4-(p-tolyl)-6-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-1-pentyl-2-(pentylamino)-6-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-1-pentyl-2-(pentylamino)-6-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 1-amyl-2-(amylamino)-4-(p-tolyl)-6-thioxo-pyrimidine-5-carbonitrile Formula: C22H30N4S MolecularWeight: 382.5654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=C(C(=S)N1CCCCC)C#N)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCNC1=NC(=C(C(=S)N1CCCCC)C#N)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H30N4S/c1-4-6-8-14-24-22-25-20(18-12-10-17(3)11-13-18)19(16-23)21(27)26(22)15-9-7-5-2/h10-13H,4-9,14-15H2,1-3H3,(H,24,25)