4-[[2-ethyl-4-(thian-4-ylamino)cyclohexa-1,3-dien-1-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[2-ethyl-4-(thian-4-ylamino)cyclohexa-1,3-dien-1-yl]amino]benzenecarbonitrile Openeye Name: 4-[[2-ethyl-4-(tetrahydrothiopyran-4-ylamino)cyclohexa-1,3-dien-1-yl]amino]benzonitrile CAS Name: 4-[[2-ethyl-4-(4-thianylamino)-1-cyclohexa-1,3-dienyl]amino]benzonitrile IUPAC Name: 4-[[2-ethyl-4-(thian-4-ylamino)cyclohexa-1,3-dien-1-yl]amino]benzonitrile Traditional Name: 4-[[2-ethyl-4-(tetrahydrothiopyran-4-ylamino)cyclohexa-1,3-dien-1-yl]amino]benzonitrile Formula: C20H25N3S MolecularWeight: 339.4976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CCC(=C1)NC2CCSCC2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=C(CCC(=C1)NC2CCSCC2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H25N3S/c1-2-16-13-19(22-18-9-11-24-12-10-18)7-8-20(16)23-17-5-3-15(14-21)4-6-17/h3-6,13,18,22-23H,2,7-12H2,1H3