[6-methyl-2-[(4-nitrophenyl)carbamoylamino]-1,3-benzothiazol-4-yl] thiocyanate

Systemtic Name: [6-methyl-2-[(4-nitrophenyl)carbamoylamino]-1,3-benzothiazol-4-yl] thiocyanate Openeye Name: [6-methyl-2-[(4-nitrophenyl)carbamoylamino]-1,3-benzothiazol-4-yl] thiocyanate CAS Name: thiocyanic acid [6-methyl-2-[[(4-nitroanilino)-oxomethyl]amino]-1,3-benzothiazol-4-yl] ester IUPAC Name: [6-methyl-2-[(4-nitrophenyl)carbamoylamino]-1,3-benzothiazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [6-methyl-2-[(4-nitrophenyl)carbamoylamino]-1,3-benzothiazol-4-yl] ester Formula: C16H11N5O3S2 MolecularWeight: 385.42024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)SC#N)N=C(S2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C(=C1)SC#N)N=C(S2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O3S2/c1-9-6-12(25-8-17)14-13(7-9)26-16(19-14)20-15(22)18-10-2-4-11(5-3-10)21(23)24/h2-7H,1H3,(H2,18,19,20,22)