(Z)-4-phenylazanyl-4-(phenylmethylsulfanyl)-3-pyridin-1-ium-1-yl-but-3-en-2-one

Systemtic Name: (Z)-4-phenylazanyl-4-(phenylmethylsulfanyl)-3-pyridin-1-ium-1-yl-but-3-en-2-one Openeye Name: (Z)-4-anilino-4-benzylsulfanyl-3-pyridin-1-ium-1-yl-but-3-en-2-one CAS Name: (Z)-4-anilino-4-(phenylmethylthio)-3-(1-pyridin-1-iumyl)-3-buten-2-one IUPAC Name: (Z)-4-anilino-4-benzylsulfanyl-3-pyridin-1-ium-1-ylbut-3-en-2-one Traditional Name: (Z)-4-anilino-4-(benzylthio)-3-pyridin-1-ium-1-yl-but-3-en-2-one Formula: C22H21N2OS+ MolecularWeight: 361.47994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=CC=CC=C1)SCC2=CC=CC=C2)[N+]3=CC=CC=C3

Isomeric SMILES

CC(=O)/C(=C(\NC1=CC=CC=C1)/SCC2=CC=CC=C2)/[N+]3=CC=CC=C3

InChI

InChI=1S/C22H20N2OS/c1-18(25)21(24-15-9-4-10-16-24)22(23-20-13-7-3-8-14-20)26-17-19-11-5-2-6-12-19/h2-16H,17H2,1H3/p+1