(Z)-3-[(6-chloranylpyridin-3-yl)methylamino]-3-(methylamino)-2-nitro-prop-2-enethioic S-acid

Systemtic Name: (Z)-3-[(6-chloranylpyridin-3-yl)methylamino]-3-(methylamino)-2-nitro-prop-2-enethioic S-acid Openeye Name: (Z)-3-[(6-chloro-3-pyridyl)methylamino]-3-(methylamino)-2-nitro-prop-2-enethioic S-acid CAS Name: (Z)-3-[(6-chloro-3-pyridinyl)methylamino]-3-(methylamino)-2-nitro-2-propenethioic S-acid IUPAC Name: (Z)-3-[(6-chloropyridin-3-yl)methylamino]-3-(methylamino)-2-nitroprop-2-enethioic S-acid Traditional Name: (Z)-3-[(6-chloro-3-pyridyl)methylamino]-3-(methylamino)-2-nitro-thioacrylic acid Formula: C10H11ClN4O3S MolecularWeight: 302.73734

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=C(C(=O)S)[N+](=O)[O-])NCC1=CN=C(C=C1)Cl

Isomeric SMILES

CN/C(=C(\C(=O)S)/[N+](=O)[O-])/NCC1=CN=C(C=C1)Cl

InChI

InChI=1S/C10H11ClN4O3S/c1-12-9(8(10(16)19)15(17)18)14-5-6-2-3-7(11)13-4-6/h2-4,12,14H,5H2,1H3,(H,16,19)/b9-8-