2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]-3-methyl-benzoic acid

Systemtic Name: 2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]-3-methyl-benzoic acid Openeye Name: 2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]-3-methyl-benzoic acid CAS Name: 2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]-3-methylbenzoic acid IUPAC Name: 2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]-3-methylbenzoic acid Traditional Name: 2-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]-3-methyl-benzoic acid Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N=C2N(N=C(S2)C3=CC=C(C=C3)Cl)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1N=C2N(N=C(S2)C3=CC=C(C=C3)Cl)C)C(=O)O

InChI

InChI=1S/C17H14ClN3O2S/c1-10-4-3-5-13(16(22)23)14(10)19-17-21(2)20-15(24-17)11-6-8-12(18)9-7-11/h3-9H,1-2H3,(H,22,23)