N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(phenylmethyl)methanimidamide; ethylbenzene

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(phenylmethyl)methanimidamide; ethylbenzene Openeye Name: N'-benzyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)formamidine; ethylbenzene CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(phenylmethyl)methanimidamide; ethylbenzene IUPAC Name: N'-benzyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanimidamide; ethylbenzene Traditional Name: N'-benzyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)formamidine; ethylbenzene Formula: C25H27N3S MolecularWeight: 401.56698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1.C1CCC2=C(C1)C(=C(S2)NC=NCC3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=CC=CC=C1.C1CCC2=C(C1)C(=C(S2)NC=NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H17N3S.C8H10/c18-10-15-14-8-4-5-9-16(14)21-17(15)20-12-19-11-13-6-2-1-3-7-13;1-2-8-6-4-3-5-7-8/h1-3,6-7,12H,4-5,8-9,11H2,(H,19,20);3-7H,2H2,1H3