4-[(E)-3-(2-azanyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[(E)-3-(2-azanyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[(E)-3-(2-amino-4,5,7,8-tetrahydrothiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzonitrile hydrochloride CAS Name: 4-[(E)-3-(2-amino-4,5,7,8-tetrahydrothiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzonitrile hydrochloride IUPAC Name: 4-[(E)-3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzonitrile hydrochloride Traditional Name: 4-[(E)-3-(2-amino-4,5,7,8-tetrahydrothiazol[4,5-d]azepin-6-yl)prop-1-enyl]benzonitrile hydrochloride Formula: C17H19ClN4S MolecularWeight: 346.87756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=C1N=C(S2)N)CC=CC3=CC=C(C=C3)C#N.Cl

Isomeric SMILES

C1CN(CCC2=C1N=C(S2)N)C/C=C/C3=CC=C(C=C3)C#N.Cl

InChI

InChI=1S/C17H18N4S.ClH/c18-12-14-5-3-13(4-6-14)2-1-9-21-10-7-15-16(8-11-21)22-17(19)20-15;/h1-6H,7-11H2,(H2,19,20);1H/b2-1+;