N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]thiophene-2-carboxamide Formula: C20H17N5O2S2 MolecularWeight: 423.51128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CS3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CS3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H17N5O2S2/c1-12-10-16-17(24-25(23-16)13-5-7-14(27-2)8-6-13)11-15(12)21-20(28)22-19(26)18-4-3-9-29-18/h3-11H,1-2H3,(H2,21,22,26,28)