[4-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]-3-methyl-phenyl] ester Formula: C12H11N5OS3 MolecularWeight: 337.44364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NN=C(S2)N

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NN=C(S2)N

InChI

InChI=1S/C12H11N5OS3/c1-7-4-8(20-6-13)2-3-9(7)15-10(18)5-19-12-17-16-11(14)21-12/h2-4H,5H2,1H3,(H2,14,16)(H,15,18)