(4-methoxyphenyl)-(6-nitrobenzotriazol-1-yl)methanethione

Systemtic Name: (4-methoxyphenyl)-(6-nitrobenzotriazol-1-yl)methanethione Openeye Name: (4-methoxyphenyl)-(6-nitrobenzotriazol-1-yl)methanethione CAS Name: (4-methoxyphenyl)-(6-nitro-1-benzotriazolyl)methanethione IUPAC Name: (4-methoxyphenyl)-(6-nitrobenzotriazol-1-yl)methanethione Traditional Name: (4-methoxyphenyl)-(6-nitrobenzotriazol-1-yl)methanethione Formula: C14H10N4O3S MolecularWeight: 314.3192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C14H10N4O3S/c1-21-11-5-2-9(3-6-11)14(22)17-13-8-10(18(19)20)4-7-12(13)15-16-17/h2-8H,1H3