N-(4-butan-2-ylphenyl)-4-(phenylsulfanylmethyl)-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(phenylsulfanylmethyl)-1,2,3-thiadiazole-5-carboxamide Openeye Name: 4-(phenylsulfanylmethyl)-N-(4-sec-butylphenyl)thiadiazole-5-carboxamide CAS Name: N-(4-butan-2-ylphenyl)-4-[(phenylthio)methyl]-5-thiadiazolecarboxamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(phenylsulfanylmethyl)thiadiazole-5-carboxamide Traditional Name: 4-[(phenylthio)methyl]-N-(4-sec-butylphenyl)thiadiazole-5-carboxamide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(N=NS2)CSC3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(N=NS2)CSC3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS2/c1-3-14(2)15-9-11-16(12-10-15)21-20(24)19-18(22-23-26-19)13-25-17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,21,24)