(4E)-4-(5-azanyl-3H-1,3,4-thiadiazol-2-ylidene)-2-methoxy-cyclohexa-2,5-dien-1-one hydrochloride

Systemtic Name: (4E)-4-(5-azanyl-3H-1,3,4-thiadiazol-2-ylidene)-2-methoxy-cyclohexa-2,5-dien-1-one hydrochloride Openeye Name: (4E)-4-(5-amino-3H-1,3,4-thiadiazol-2-ylidene)-2-methoxy-cyclohexa-2,5-dien-1-one hydrochloride CAS Name: (4E)-4-(5-amino-3H-1,3,4-thiadiazol-2-ylidene)-2-methoxy-1-cyclohexa-2,5-dienone hydrochloride IUPAC Name: (4E)-4-(5-amino-3H-1,3,4-thiadiazol-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one hydrochloride Traditional Name: (4E)-4-(5-amino-3H-1,3,4-thiadiazol-2-ylidene)-2-methoxy-cyclohexa-2,5-dien-1-one hydrochloride Formula: C9H10ClN3O2S MolecularWeight: 259.7126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2NN=C(S2)N)C=CC1=O.Cl

Isomeric SMILES

COC1=C/C(=C/2\NN=C(S2)N)/C=CC1=O.Cl

InChI

InChI=1S/C9H9N3O2S.ClH/c1-14-7-4-5(2-3-6(7)13)8-11-12-9(10)15-8;/h2-4,11H,1H3,(H2,10,12);1H/b8-5+;