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

Systemtic Name: [3-methyl-4-[2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [4-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]-3-methyl-phenyl] ester Formula: C18H15N5OS3 MolecularWeight: 413.5396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NN=C(S2)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NN=C(S2)NC3=CC=CC=C3

InChI

InChI=1S/C18H15N5OS3/c1-12-9-14(26-11-19)7-8-15(12)21-16(24)10-25-18-23-22-17(27-18)20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,20,22)(H,21,24)