2-azanyl-4,6-dimethyl-5-(thiophen-3-ylmethylidene)cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile

Systemtic Name: 2-azanyl-4,6-dimethyl-5-(thiophen-3-ylmethylidene)cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-4,6-dimethyl-5-(3-thienylmethylene)cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-4,6-dimethyl-5-(3-thiophenylmethylidene)cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-4,6-dimethyl-5-(thiophen-3-ylmethylidene)cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-4,6-dimethyl-5-(3-thenylidene)-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C17H13N4S+ MolecularWeight: 305.37692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CSC=C3)C(=C(C(=[NH+]2)N)C#N)C)C#N

Isomeric SMILES

CC1=C(C2=C(C1=CC3=CSC=C3)C(=C(C(=[NH+]2)N)C#N)C)C#N

InChI

InChI=1S/C17H12N4S/c1-9-12(5-11-3-4-22-8-11)15-10(2)14(7-19)17(20)21-16(15)13(9)6-18/h3-5,8H,1-2H3,(H2,20,21)/p+1